1-(3-azanyl-1,2,4-triazol-4-yl)-3-[(3,4-dichlorophenyl)methylsulfanyl]propan-1-one

Systemtic Name: 1-(3-azanyl-1,2,4-triazol-4-yl)-3-[(3,4-dichlorophenyl)methylsulfanyl]propan-1-one Openeye Name: 1-(3-amino-1,2,4-triazol-4-yl)-3-[(3,4-dichlorophenyl)methylsulfanyl]propan-1-one CAS Name: 1-(3-amino-1,2,4-triazol-4-yl)-3-[(3,4-dichlorophenyl)methylthio]-1-propanone IUPAC Name: 1-(3-amino-1,2,4-triazol-4-yl)-3-[(3,4-dichlorophenyl)methylsulfanyl]propan-1-one Traditional Name: 1-(3-amino-1,2,4-triazol-4-yl)-3-[(3,4-dichlorobenzyl)thio]propan-1-one Formula: C12H12Cl2N4OS MolecularWeight: 331.22088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSCCC(=O)N2C=NN=C2N)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CSCCC(=O)N2C=NN=C2N)Cl)Cl

InChI

InChI=1S/C12H12Cl2N4OS/c13-9-2-1-8(5-10(9)14)6-20-4-3-11(19)18-7-16-17-12(18)15/h1-2,5,7H,3-4,6H2,(H2,15,17)